[(1S)-2-[(2,5-dimethoxyphenyl)carbamothioylamino]-1-pyridin-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(2,5-dimethoxyphenyl)carbamothioylamino]-1-pyridin-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(2,5-dimethoxyphenyl)carbamothioylamino]-1-(3-pyridyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]-1-(3-pyridinyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(2,5-dimethoxyphenyl)carbamothioylamino]-1-pyridin-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(2,5-dimethoxyphenyl)thiocarbamoylamino]-1-(3-pyridyl)ethyl]-dimethyl-ammonium Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=S)NC1=C(C=CC(=C1)OC)OC)C2=CN=CC=C2

Isomeric SMILES

C[NH+](C)[C@H](CNC(=S)NC1=C(C=CC(=C1)OC)OC)C2=CN=CC=C2

InChI

InChI=1S/C18H24N4O2S/c1-22(2)16(13-6-5-9-19-11-13)12-20-18(25)21-15-10-14(23-3)7-8-17(15)24-4/h5-11,16H,12H2,1-4H3,(H2,20,21,25)/p+1/t16-/m1/s1